2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C22H29N3O — CID 109007619

IUPAC2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18-6-4-5-7-21(18)23-16-22(26)24-19-8-10-20(11-9-19)25-14-12-17(2)13-15-25/h4-11,17,23H,3,12-16H2,1-2H3,(H,24,26)
InChIKeyLVZYDJQVTGTIMD-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.54
Rot. Bonds6

About 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 109007619) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID109007619
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18-6-4-5-7-21(18)23-16-22(26)24-19-8-10-20(11-9-19)25-14-12-17(2)13-15-25/h4-11,17,23H,3,12-16H2,1-2H3,(H,24,26)
InChIKeyLVZYDJQVTGTIMD-UHFFFAOYSA-N
XLogP4.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 109007619) is 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CCc1ccccc1NCC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is LVZYDJQVTGTIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-18-6-4-5-7-21(18)23-16-22(26)24-19-8-10-20(11-9-19)25-14-12-17(2)13-15-25/h4-11,17,23H,3,12-16H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 109007619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).